1-(2-hydroxy-5-methylphenyl)-3-pyrazol-1-ylpropan-1-one

C13H14N2O2 — CID 6424461

IUPAC1-(2-hydroxy-5-methylphenyl)-3-pyrazol-1-ylpropan-1-one
SMILESCc1ccc(O)c(C(=O)CCn2cccn2)c1
InChIInChI=1S/C13H14N2O2/c1-10-3-4-12(16)11(9-10)13(17)5-8-15-7-2-6-14-15/h2-4,6-7,9,16H,5,8H2,1H3
InChIKeyMUZTUBWCNQELDT-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.17
Rot. Bonds4

About 1-(2-hydroxy-5-methylphenyl)-3-pyrazol-1-ylpropan-1-one

1-(2-hydroxy-5-methylphenyl)-3-pyrazol-1-ylpropan-1-one (PubChem CID 6424461) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-(2-hydroxy-5-methylphenyl)-3-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-hydroxy-5-methylphenyl)-3-pyrazol-1-ylpropan-1-one
PubChem CID6424461
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-(2-hydroxy-5-methylphenyl)-3-pyrazol-1-ylpropan-1-one
SMILESCc1ccc(O)c(C(=O)CCn2cccn2)c1
InChIInChI=1S/C13H14N2O2/c1-10-3-4-12(16)11(9-10)13(17)5-8-15-7-2-6-14-15/h2-4,6-7,9,16H,5,8H2,1H3
InChIKeyMUZTUBWCNQELDT-UHFFFAOYSA-N
XLogP2.17
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(2-methoxy-5-methylphenyl)-3-pyrazol-1-ylpropanamide
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1-(2-hydroxy-5-methylphenyl)-2-(methylamino)ethanone
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1-(2-hydroxy-5-methylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-5-methylphenyl)-3-pyrazol-1-ylpropan-1-one?
The IUPAC name of 1-(2-hydroxy-5-methylphenyl)-3-pyrazol-1-ylpropan-1-one (CID 6424461) is 1-(2-hydroxy-5-methylphenyl)-3-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for 1-(2-hydroxy-5-methylphenyl)-3-pyrazol-1-ylpropan-1-one?
The canonical SMILES for 1-(2-hydroxy-5-methylphenyl)-3-pyrazol-1-ylpropan-1-one is Cc1ccc(O)c(C(=O)CCn2cccn2)c1.
What is the InChIKey of 1-(2-hydroxy-5-methylphenyl)-3-pyrazol-1-ylpropan-1-one?
The InChIKey is MUZTUBWCNQELDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-10-3-4-12(16)11(9-10)13(17)5-8-15-7-2-6-14-15/h2-4,6-7,9,16H,5,8H2,1H3.
What are the key properties of 1-(2-hydroxy-5-methylphenyl)-3-pyrazol-1-ylpropan-1-one?
1-(2-hydroxy-5-methylphenyl)-3-pyrazol-1-ylpropan-1-one has a molecular weight of 230.27 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-5-methylphenyl)-3-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 6424461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).